WFG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C15 | doub | 1.22Å | 1.23Å | |
| C15 | O24 | sing | 1.35Å | 1.36Å | |
| C15 | C13 | sing | 1.46Å | 1.49Å | |
| C3 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| O24 | C18 | sing | 1.45Å | 1.43Å | |
| C13 | C8 | sing | 1.48Å | 1.47Å | |
| C13 | C14 | doub | 1.36Å | 1.34Å | |
| C8 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | F25 | sing | 1.35Å | 1.37Å | |
| C12 | C5 | doub | 1.39Å | 1.36Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C18 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | C9 | sing | 1.47Å | 1.47Å | |
| C2 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | N20 | sing | 1.40Å | 1.41Å | |
| C11 | O23 | sing | 1.36Å | 1.39Å | |
| N20 | C16 | sing | 1.35Å | 1.35Å | |
| O23 | C17 | sing | 1.43Å | 1.44Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | O22 | doub | 1.21Å | 1.23Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| N20 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C15 | O24 | 123.4° | 124.9° |
| O21 | C15 | C13 | 128.2° | 125.0° |
| O24 | C15 | C13 | 108.4° | 110.2° |
| C15 | O24 | C18 | 110.7° | 108.2° |
| C15 | C13 | C8 | 122.1° | 125.5° |
| C15 | C13 | C14 | 106.1° | 109.0° |
| C6 | C3 | C8 | 120.2° | 119.9° |
| C3 | C6 | C12 | 119.8° | 120.2° |
| C6 | C3 | H3 | 119.9° | 120.0° |
| C3 | C6 | H6 | 120.1° | 119.9° |
| C3 | C8 | C13 | 121.0° | 120.1° |
| C3 | C8 | C2 | 118.4° | 119.7° |
| C8 | C3 | H3 | 119.9° | 120.0° |
| C6 | C12 | F25 | 120.4° | 120.0° |
| C6 | C12 | C5 | 120.9° | 120.2° |
| C12 | C6 | H6 | 120.1° | 119.9° |
| O24 | C18 | C19 | 110.2° | 110.3° |
| O24 | C18 | C14 | 103.5° | 106.2° |
| O24 | C18 | H10 | 110.3° | 110.0° |
| C8 | C13 | C14 | 131.6° | 125.5° |
| C13 | C8 | C2 | 120.7° | 120.1° |
| C13 | C14 | C18 | 111.2° | 106.5° |
| C13 | C14 | C9 | 130.8° | 126.8° |
| C8 | C2 | C5 | 120.9° | 119.9° |
| C8 | C2 | H2 | 119.5° | 120.0° |
| F25 | C12 | C5 | 118.8° | 119.8° |
| C12 | C5 | C2 | 119.9° | 120.1° |
| C12 | C5 | H5 | 120.1° | 119.9° |
| C19 | C18 | C14 | 114.1° | 110.1° |
| C19 | C18 | H10 | 109.2° | 110.1° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C14 | C9 | 117.8° | 126.7° |
| C14 | C18 | H10 | 109.4° | 110.1° |
| C14 | C9 | C1 | 122.2° | 120.1° |
| C14 | C9 | C7 | 119.7° | 120.1° |
| C5 | C2 | H2 | 119.6° | 120.1° |
| C2 | C5 | H5 | 120.1° | 120.0° |
| C1 | C9 | C7 | 118.1° | 119.8° |
| C9 | C1 | C4 | 121.3° | 120.1° |
| C9 | C1 | H1 | 119.4° | 120.0° |
| C9 | C7 | C10 | 120.4° | 119.7° |
| C9 | C7 | H7 | 119.8° | 120.1° |
| C1 | C4 | C11 | 119.9° | 120.1° |
| C4 | C1 | H1 | 119.4° | 119.9° |
| C1 | C4 | H4 | 120.1° | 120.0° |
| C7 | C10 | C11 | 121.0° | 120.1° |
| C7 | C10 | N20 | 120.4° | 120.6° |
| C10 | C7 | H7 | 119.8° | 120.2° |
| C4 | C11 | C10 | 119.4° | 120.2° |
| C4 | C11 | O23 | 119.6° | 120.5° |
| C11 | C4 | H4 | 120.0° | 120.0° |
| C11 | C10 | N20 | 118.7° | 119.3° |
| C10 | C11 | O23 | 120.9° | 119.3° |
| C10 | N20 | C16 | 122.5° | 118.7° |
| C10 | N20 | H14 | 118.8° | 120.5° |
| C11 | O23 | C17 | 113.0° | 116.7° |
| N20 | C16 | C17 | 114.4° | 119.8° |
| N20 | C16 | O22 | 124.3° | 120.1° |
| C16 | N20 | H14 | 118.7° | 120.7° |
| O23 | C17 | C16 | 114.5° | 109.7° |
| O23 | C17 | H8 | 108.2° | 109.0° |
| O23 | C17 | H9 | 108.2° | 109.9° |
| C17 | C16 | O22 | 121.2° | 120.1° |
| C16 | C17 | H8 | 108.2° | 109.5° |
| C16 | C17 | H9 | 108.2° | 109.4° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H13 | 109.5° | 109.4° |
| H12 | C19 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C15 | O24 | C13 | 179.1° | 179.9° |
| O21 | C15 | O24 | C18 | 178.7° | 180.0° |
| O21 | C15 | C13 | C8 | 3.3° | 0.2° |
| O21 | C15 | C13 | C14 | 178.1° | 179.8° |
| O24 | C15 | C13 | C8 | 177.7° | 179.9° |
| O24 | C15 | C13 | C14 | 2.8° | 0.3° |
| C15 | O24 | C18 | C19 | 123.2° | 119.2° |
| C15 | O24 | C18 | C14 | 0.8° | 0.0° |
| C15 | O24 | C18 | H10 | 116.2° | 119.2° |
| C15 | C13 | C8 | C3 | 48.3° | 65.3° |
| C13 | C15 | O24 | C18 | 2.2° | 0.1° |
| C15 | C13 | C8 | C14 | 173.4° | 179.6° |
| C15 | C13 | C8 | C2 | 130.2° | 114.7° |
| C15 | C13 | C14 | C18 | 2.3° | 0.3° |
| C15 | C13 | C14 | C9 | 177.3° | 179.8° |
| C6 | C3 | C8 | H3 | 180.0° | 179.2° |
| C3 | C6 | C12 | H6 | 180.0° | 179.2° |
| C6 | C3 | C8 | C13 | 179.2° | 179.6° |
| C6 | C3 | C8 | C2 | 0.7° | 0.5° |
| C3 | C6 | C12 | F25 | 179.4° | 180.0° |
| C3 | C6 | C12 | C5 | 1.2° | 0.5° |
| C8 | C3 | C6 | C12 | 0.8° | 0.8° |
| C3 | C8 | C13 | C2 | 178.5° | 179.9° |
| C3 | C8 | C13 | C14 | 138.3° | 115.0° |
| C3 | C8 | C2 | C5 | 1.0° | 0.0° |
| C3 | C8 | C2 | H2 | 179.0° | 179.7° |
| C8 | C3 | C6 | H6 | 179.2° | 180.0° |
| C6 | C12 | F25 | C5 | 178.2° | 179.5° |
| C6 | C12 | C5 | C2 | 1.5° | 0.0° |
| C12 | C6 | C3 | H3 | 179.2° | 180.0° |
| C6 | C12 | C5 | H5 | 178.5° | 180.0° |
| O24 | C18 | C14 | C13 | 1.1° | 0.2° |
| O24 | C18 | C19 | C14 | 115.9° | 116.8° |
| O24 | C18 | C19 | H10 | 121.3° | 121.6° |
| O24 | C18 | C14 | H10 | 117.5° | 119.1° |
| O24 | C18 | C14 | C9 | 176.8° | 179.8° |
| O24 | C18 | C19 | H11 | 180.0° | 176.8° |
| O24 | C18 | C19 | H12 | 60.0° | 63.2° |
| O24 | C18 | C19 | H13 | 60.0° | 56.8° |
| C8 | C13 | C14 | C18 | 176.5° | 179.9° |
| C8 | C13 | C14 | C9 | 8.5° | 0.1° |
| C13 | C8 | C2 | C5 | 179.5° | 179.9° |
| C13 | C8 | C2 | H2 | 0.5° | 0.2° |
| C13 | C8 | C3 | H3 | 0.8° | 0.3° |
| C14 | C13 | C8 | C2 | 43.2° | 64.9° |
| C13 | C14 | C18 | C19 | 118.7° | 119.2° |
| C13 | C14 | C18 | C9 | 175.7° | 180.0° |
| C13 | C14 | C9 | C1 | 32.7° | 115.0° |
| C13 | C14 | C9 | C7 | 150.7° | 65.0° |
| C13 | C14 | C18 | H10 | 118.6° | 119.3° |
| C8 | C2 | C5 | C12 | 1.4° | 0.3° |
| C8 | C2 | C5 | H2 | 180.0° | 179.7° |
| C2 | C8 | C3 | H3 | 179.3° | 179.7° |
| C8 | C2 | C5 | H5 | 178.6° | 179.7° |
| F25 | C12 | C5 | C2 | 179.7° | 179.5° |
| F25 | C12 | C5 | H5 | 0.3° | 0.5° |
| F25 | C12 | C6 | H6 | 0.6° | 0.8° |
| C12 | C5 | C2 | H5 | 180.0° | 180.0° |
| C12 | C5 | C2 | H2 | 178.6° | 180.0° |
| C5 | C12 | C6 | H6 | 178.8° | 179.7° |
| C19 | C18 | C14 | H10 | 122.7° | 121.6° |
| C19 | C18 | C14 | C9 | 57.0° | 60.8° |
| C18 | C19 | H11 | H12 | 120.0° | 120.0° |
| C18 | C19 | H11 | H13 | 120.0° | 120.0° |
| C18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C18 | C14 | C9 | C1 | 142.0° | 65.0° |
| C18 | C14 | C9 | C7 | 34.6° | 115.0° |
| C14 | C18 | C19 | H11 | 64.1° | 60.0° |
| C14 | C18 | C19 | H12 | 175.9° | 180.0° |
| C14 | C18 | C19 | H13 | 55.9° | 60.0° |
| C14 | C9 | C1 | C7 | 176.7° | 180.0° |
| C14 | C9 | C1 | C4 | 177.6° | 180.0° |
| C14 | C9 | C7 | C10 | 177.6° | 179.5° |
| C14 | C9 | C1 | H1 | 2.4° | 0.3° |
| C14 | C9 | C7 | H7 | 2.4° | 0.2° |
| C9 | C14 | C18 | H10 | 65.7° | 60.7° |
| C9 | C1 | C4 | H1 | 180.0° | 179.7° |
| C1 | C9 | C7 | C10 | 0.8° | 0.5° |
| C9 | C1 | C4 | C11 | 0.0° | 0.2° |
| C9 | C1 | C4 | H4 | 179.9° | 179.7° |
| C1 | C9 | C7 | H7 | 179.2° | 179.8° |
| C7 | C9 | C1 | C4 | 0.9° | 0.0° |
| C9 | C7 | C10 | H7 | 180.0° | 179.3° |
| C9 | C7 | C10 | C11 | 0.2° | 0.8° |
| C9 | C7 | C10 | N20 | 180.0° | 179.1° |
| C7 | C9 | C1 | H1 | 179.1° | 179.7° |
| C1 | C4 | C11 | H4 | 180.0° | 179.9° |
| C1 | C4 | C11 | C10 | 1.1° | 0.1° |
| C1 | C4 | C11 | O23 | 178.7° | 179.9° |
| C7 | C10 | C11 | C4 | 1.1° | 0.6° |
| C7 | C10 | C11 | N20 | 179.9° | 179.9° |
| C7 | C10 | C11 | O23 | 178.8° | 179.4° |
| C7 | C10 | N20 | C16 | 167.5° | 163.4° |
| C7 | C10 | N20 | H14 | 12.5° | 15.5° |
| C4 | C11 | C10 | O23 | 177.7° | 179.9° |
| C4 | C11 | C10 | N20 | 179.0° | 179.4° |
| C4 | C11 | O23 | C17 | 151.6° | 147.0° |
| C11 | C4 | C1 | H1 | 180.0° | 180.0° |
| C11 | C10 | N20 | C16 | 12.3° | 16.7° |
| C10 | C11 | O23 | C17 | 30.8° | 32.9° |
| C10 | C11 | C4 | H4 | 178.9° | 180.0° |
| C11 | C10 | C7 | H7 | 179.8° | 179.9° |
| C11 | C10 | N20 | H14 | 167.6° | 164.4° |
| N20 | C10 | C11 | O23 | 1.3° | 0.7° |
| C10 | N20 | C16 | H14 | 180.0° | 178.9° |
| C10 | N20 | C16 | C17 | 4.8° | 0.5° |
| C10 | N20 | C16 | O22 | 178.9° | 179.4° |
| N20 | C10 | C7 | H7 | 0.1° | 0.1° |
| C11 | O23 | C17 | C16 | 46.9° | 46.6° |
| O23 | C11 | C4 | H4 | 1.2° | 0.1° |
| C11 | O23 | C17 | H8 | 167.6° | 73.2° |
| C11 | O23 | C17 | H9 | 73.8° | 166.9° |
| N20 | C16 | C17 | O23 | 34.4° | 30.8° |
| N20 | C16 | C17 | O22 | 176.5° | 180.0° |
| N20 | C16 | C17 | H8 | 155.2° | 88.7° |
| N20 | C16 | C17 | H9 | 86.3° | 151.4° |
| O23 | C17 | C16 | H8 | 120.8° | 119.5° |
| O23 | C17 | C16 | H9 | 120.7° | 120.6° |
| O23 | C17 | C16 | O22 | 149.1° | 149.1° |
| O23 | C17 | H8 | H9 | 117.7° | 120.2° |
| C16 | C17 | H8 | H9 | 117.7° | 119.9° |
| C17 | C16 | N20 | H14 | 175.3° | 178.4° |
| O22 | C16 | C17 | H8 | 28.3° | 91.4° |
| O22 | C16 | C17 | H9 | 90.2° | 28.6° |
| O22 | C16 | N20 | H14 | 1.1° | 1.7° |
| H1 | C1 | C4 | H4 | 0.1° | 0.0° |
| H2 | C2 | C5 | H5 | 1.4° | 0.1° |
| H3 | C3 | C6 | H6 | 0.8° | 0.8° |
| H10 | C18 | C19 | H11 | 58.7° | 61.6° |
| H10 | C18 | C19 | H12 | 61.3° | 58.4° |
| H10 | C18 | C19 | H13 | 178.7° | 178.4° |
| H11 | C19 | H12 | H13 | 120.0° | 119.9° |
